SCHEMBL5405511

SCHEMBL5405511

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(S(=O)(=O)c1cccc3nsnc13)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.54
KCNH2 Q12809 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CYP2D6 P10635 2/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.46
USP2 O75604 1/20 0.46
ADRB3 P13945 1/20 0.45
POLB P06746 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5397502 0.86 CCR8 (0.51) CCR8KCNH2MAPK1KMT2AMAPT
SCHEMBL5399784 0.84 CCR8 (0.55) CCR8KCNH2SMN1; SMN2MAPK1GAA
SCHEMBL5402906 0.83 CCR8 (0.56) CCR8KCNH2CYP2D6CYP1A2CYP2C9
SCHEMBL5395108 0.80 CYP2D6 (0.74) CCR8KCNH2SMN1; SMN2MAPK1KMT2A
SCHEMBL5401956 0.80 CCR8 (0.53) CCR8KCNH2SMN1; SMN2MAPK1KMT2A
SCHEMBL5433318 0.79 CCR8 (0.60) CCR8KCNH2KMT2AGAAMAPT
SCHEMBL5391481 0.78 CCR8 (0.57) CCR8KCNH2SMN1; SMN2MAPK1KMT2A
SCHEMBL5428260 0.78 CCR8 (0.61) CCR8KCNH2CYP2D6CYP1A2CYP2C9
SCHEMBL5395067 0.77 CCR8 (0.52) CCR8KCNH2CYP2D6ALDH1A1CYP1A2
SCHEMBL5406010 0.77 CYP2D6 (0.58) CCR8KCNH2MAPK1CYP2D6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US claimed
JP-2007509141-A 2007-04-12 JP claimed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP claimed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO claimed
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 2793/4885SMN1; SMN2 656/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.